6-chloranyl-7-methyl-4-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one

Systemtic Name: 6-chloranyl-7-methyl-4-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Openeye Name: 6-chloro-7-methyl-4-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one CAS Name: 6-chloro-7-methyl-4-[[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-methyl-4-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Traditional Name: 6-chloro-7-methyl-4-[[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]coumarin Formula: C21H19ClN4O2S MolecularWeight: 426.91916

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC2=CC(=O)OC3=CC(=C(C=C23)Cl)C)C4=CC=NC=C4

Isomeric SMILES

CCCN1C(=NN=C1SCC2=CC(=O)OC3=CC(=C(C=C23)Cl)C)C4=CC=NC=C4

InChI

InChI=1S/C21H19ClN4O2S/c1-3-8-26-20(14-4-6-23-7-5-14)24-25-21(26)29-12-15-10-19(27)28-18-9-13(2)17(22)11-16(15)18/h4-7,9-11H,3,8,12H2,1-2H3